The relationship between the eccentric connectivity index and Zagreb indices

The relationship between Wiener's index — a distance-based topological descriptor, Zagreb group parameter — M 1, an adjacency-based topological descriptor, and eccentric connectivity index — an adjacency-cum-distance based topological descriptor, with the alpha-1 adrenoceptor antagonistic activity of arylpiperazines has been investigated. A training set, comprising 30 analogues, of substituted arylpiperazines was selected for the present investigations. The values of the Wiener's index, Zagreb group parameter and eccentric connectivity index and each of 30 analogues comprising the data set were computed. Resulting data was analyzed and suitable models developed after identification of active range. Subsequently, a biological activity was assigned to each analogue involved in the data set using these models, which was then compared with the reported adrenoceptor antagonistic activity. High accuracy of prediction ranging from 90–93% was observed using these models.

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ON ZAGREB INDICES AND ECCENTRIC CONNECTIVITY INDEX OF CERTAIN THORN GRAPHS

International Journal of Pure and Apllied Mathematics ◽

10.12732/ijpam.v106i3.16 ◽

2016 ◽

Vol 106 (3) ◽

Author(s):

U. Mary ◽

A.K. Therese ◽

M.J. Seles ◽

R. Jayasree ◽

J. Kok

Keyword(s):

Connectivity Index ◽

Eccentric Connectivity Index ◽

Zagreb Indices ◽

Thorn Graphs

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On eccentricity-based topological descriptors of water-soluble dendrimers

Zeitschrift für Naturforschung C ◽

10.1515/znc-2018-0123 ◽

2018 ◽

Vol 74 (1-2) ◽

pp. 25-33 ◽

Cited By ~ 11

Author(s):

Zahid Iqbal ◽

Muhammad Ishaq ◽

Adnan Aslam ◽

Wei Gao

Keyword(s):

Molecular Structure ◽

Chemical Properties ◽

Topological Indices ◽

Water Soluble ◽

Connectivity Index ◽

Topological Descriptors ◽

Physical And Chemical Properties ◽

Eccentric Connectivity Index ◽

Physical And Chemical ◽

And Chemical Properties

AbstractPrevious studies show that certain physical and chemical properties of chemical compounds are closely related with their molecular structure. As a theoretical basis, it provides a new way of thinking by analyzing the molecular structure of the compounds to understand their physical and chemical properties. The molecular topological indices are numerical invariants of a molecular graph and are useful to predict their bioactivity. Among these topological indices, the eccentric-connectivity index has a prominent place, because of its high degree of predictability of pharmaceutical properties. In this article, we compute the closed formulae of eccentric-connectivity–based indices and its corresponding polynomial for water-soluble perylenediimides-cored polyglycerol dendrimers. Furthermore, the edge version of eccentric-connectivity index for a new class of dendrimers is determined. The conclusions we obtained in this article illustrate the promising application prospects in the field of bioinformatics and nanomaterial engineering.

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